Drug Information
Drug General Information | Top | |||
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Drug ID |
D0YI5C
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Former ID |
DNC004367
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Drug Name |
S-(N-hexyl-N-hydroxycarbamoyl)glutathione
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Synonyms |
CHEMBL127840; S-(N-hexyl-N-hydroxycarbamoyl)glutathione; SCHEMBL3281719; BDBM50092827
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C17H30N4O8S
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Canonical SMILES |
CCCCCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
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InChI |
1S/C17H30N4O8S/c1-2-3-4-5-8-21(29)17(28)30-10-12(15(25)19-9-14(23)24)20-13(22)7-6-11(18)16(26)27/h11-12,29H,2-10,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12-/m0/s1
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InChIKey |
VKRQPFKVQRNOCI-RYUDHWBXSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Lactoylglutathione lyase (GLO1) | Target Info | Inhibitor | [1] |
BioCyc | Methylglyoxal degradation I | |||
KEGG Pathway | Pyruvate metabolism | |||
NetPath Pathway | TCR Signaling Pathway | |||
Pathwhiz Pathway | Pyruvaldehyde Degradation | |||
Pyruvate Metabolism | ||||
Reactome | Pyruvate metabolism |
References | Top | |||
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REF 1 | Role of hydrophobic interactions in binding S-(N-aryl/alkyl-N-hydroxycarbamoyl)glutathiones to the active site of the antitumor target enzyme glyoxalase I. J Med Chem. 2000 Oct 19;43(21):3981-6. |
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